methane;2-(methyldisulfanyl)-5-[[5-(methyldisulfanyl)-1,3,4-thiadiazol-2-yl]disulfanyl]-1,3,4-thiadiazole

C8H14N4S8 — CID 158724594

IUPACmethane;2-(methyldisulfanyl)-5-[[5-(methyldisulfanyl)-1,3,4-thiadiazol-2-yl]disulfanyl]-1,3,4-thiadiazole
SMILESC.C.CSSc1nnc(SSc2nnc(SSC)s2)s1
InChIInChI=1S/C6H6N4S8.2CH4/c1-11-15-3-7-9-5(13-3)17-18-6-10-8-4(14-6)16-12-2;;/h1-2H3;2*1H4
InChIKeyIKILCDFVHRFUPS-UHFFFAOYSA-N
MW422.76 g/mol
LogP6.20
Rot. Bonds7

About methane;2-(methyldisulfanyl)-5-[[5-(methyldisulfanyl)-1,3,4-thiadiazol-2-yl]disulfanyl]-1,3,4-thiadiazole

methane;2-(methyldisulfanyl)-5-[[5-(methyldisulfanyl)-1,3,4-thiadiazol-2-yl]disulfanyl]-1,3,4-thiadiazole (PubChem CID 158724594) has the molecular formula C8H14N4S8 and a molecular weight of 422.76 g/mol. Its IUPAC name is methane;2-(methyldisulfanyl)-5-[[5-(methyldisulfanyl)-1,3,4-thiadiazol-2-yl]disulfanyl]-1,3,4-thiadiazole.

Molecular Properties

Compound Namemethane;2-(methyldisulfanyl)-5-[[5-(methyldisulfanyl)-1,3,4-thiadiazol-2-yl]disulfanyl]-1,3,4-thiadiazole
PubChem CID158724594
Molecular FormulaC8H14N4S8
Molecular Weight422.76 g/mol
Exact Mass421.90
IUPAC Namemethane;2-(methyldisulfanyl)-5-[[5-(methyldisulfanyl)-1,3,4-thiadiazol-2-yl]disulfanyl]-1,3,4-thiadiazole
SMILESC.C.CSSc1nnc(SSc2nnc(SSC)s2)s1
InChIInChI=1S/C6H6N4S8.2CH4/c1-11-15-3-7-9-5(13-3)17-18-6-10-8-4(14-6)16-12-2;;/h1-2H3;2*1H4
InChIKeyIKILCDFVHRFUPS-UHFFFAOYSA-N
XLogP6.20
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500422.76
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}

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Related Compounds

2-butan-2-ylsulfanyl-5-[(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)disulfanyl]-1,3,4-thiadiazole
CID 148911625
2-methylsulfanyl-5-propan-2-ylsulfanyl-1,3,4-thiadiazole
CID 20588041
2-but-2-ynylsulfanyl-5-methylsulfanyl-1,3,4-thiadiazole
CID 131019948
2-(methoxymethylsulfanyl)-5-methylsulfanyl-1,3,4-thiadiazole
CID 22889812
2,5-bis(2-methylnonan-2-yldisulfanyl)-1,3,4-thiadiazole
CID 22145197
2-cyclopentylsulfanyl-5-methylsulfanyl-1,3,4-thiadiazole
CID 131208793
5-(2-methylsulfanylethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 18777792
2-(3-bromopropylsulfanyl)-5-methylsulfanyl-1,3,4-thiadiazole
CID 115382657
(2R)-1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol
CID 106933430
2,5-bis(2,4,4-trimethylpentan-2-ylsulfanyl)-1,3,4-thiadiazole
CID 121266852
2-methylsulfanyl-5-(methylsulfanylmethyl)-1,3,4-thiadiazole
CID 89302858
6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]hexan-3-amine
CID 106808519

Frequently Asked Questions

What is the IUPAC name of methane;2-(methyldisulfanyl)-5-[[5-(methyldisulfanyl)-1,3,4-thiadiazol-2-yl]disulfanyl]-1,3,4-thiadiazole?
The IUPAC name of methane;2-(methyldisulfanyl)-5-[[5-(methyldisulfanyl)-1,3,4-thiadiazol-2-yl]disulfanyl]-1,3,4-thiadiazole (CID 158724594) is methane;2-(methyldisulfanyl)-5-[[5-(methyldisulfanyl)-1,3,4-thiadiazol-2-yl]disulfanyl]-1,3,4-thiadiazole.
What is the SMILES notation for methane;2-(methyldisulfanyl)-5-[[5-(methyldisulfanyl)-1,3,4-thiadiazol-2-yl]disulfanyl]-1,3,4-thiadiazole?
The canonical SMILES for methane;2-(methyldisulfanyl)-5-[[5-(methyldisulfanyl)-1,3,4-thiadiazol-2-yl]disulfanyl]-1,3,4-thiadiazole is C.C.CSSc1nnc(SSc2nnc(SSC)s2)s1.
What is the InChIKey of methane;2-(methyldisulfanyl)-5-[[5-(methyldisulfanyl)-1,3,4-thiadiazol-2-yl]disulfanyl]-1,3,4-thiadiazole?
The InChIKey is IKILCDFVHRFUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4S8.2CH4/c1-11-15-3-7-9-5(13-3)17-18-6-10-8-4(14-6)16-12-2;;/h1-2H3;2*1H4.
What are the key properties of methane;2-(methyldisulfanyl)-5-[[5-(methyldisulfanyl)-1,3,4-thiadiazol-2-yl]disulfanyl]-1,3,4-thiadiazole?
methane;2-(methyldisulfanyl)-5-[[5-(methyldisulfanyl)-1,3,4-thiadiazol-2-yl]disulfanyl]-1,3,4-thiadiazole has a molecular weight of 422.76 g/mol, XLogP of 6.20, 7 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-(methyldisulfanyl)-5-[[5-(methyldisulfanyl)-1,3,4-thiadiazol-2-yl]disulfanyl]-1,3,4-thiadiazole is sourced from PubChem (CID 158724594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).